BDBM50393116 CHEMBL2153423

SMILES: COc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1

InChI Key: InChIKey=ZFLJBXISNFUYBH-UHFFFAOYSA-N

Data: 5 KI  2 IC50  1 Kd

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50393116   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50393116 (CHEMBL2153423) Show SMILES COc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C20H24N2O3/c1-23-18-5-3-2-4-17(18)22-12-10-21(11-13-22)9-8-16-6-7-19-20(14-16)25-15-24-19/h2-7,14H,8-13,15H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from rat salivary gland adrenergic alpha 1A receptor after 45 mins by liquid scintillation counter				Eur J Med Chem 46: 3000-12 (2011) Article DOI: 10.1016/j.ejmech.2011.04.032 BindingDB Entry DOI: 10.7270/Q2M32WVZ
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50393116 (CHEMBL2153423) Show SMILES COc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C20H24N2O3/c1-23-18-5-3-2-4-17(18)22-12-10-21(11-13-22)9-8-16-6-7-19-20(14-16)25-15-24-19/h2-7,14H,8-13,15H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bras£lia Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human alpha1D-adrenoceptor expressed in CHO cell membranes measured after 30 mins				Eur J Med Chem 122: 601-610 (2016) Article DOI: 10.1016/j.ejmech.2016.06.052 BindingDB Entry DOI: 10.7270/Q2JW8GW1
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50393116 (CHEMBL2153423) Show SMILES COc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C20H24N2O3/c1-23-18-5-3-2-4-17(18)22-12-10-21(11-13-22)9-8-16-6-7-19-20(14-16)25-15-24-19/h2-7,14H,8-13,15H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bras£lia Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human alpha1A-adrenoceptor expressed in CHO cell membranes measured after 30 mins				Eur J Med Chem 122: 601-610 (2016) Article DOI: 10.1016/j.ejmech.2016.06.052 BindingDB Entry DOI: 10.7270/Q2JW8GW1
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50393116 (CHEMBL2153423) Show SMILES COc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C20H24N2O3/c1-23-18-5-3-2-4-17(18)22-12-10-21(11-13-22)9-8-16-6-7-19-20(14-16)25-15-24-19/h2-7,14H,8-13,15H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bras£lia Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human alpha1B-adrenoceptor expressed in CHO cell membranes measured after 30 mins				Eur J Med Chem 122: 601-610 (2016) Article DOI: 10.1016/j.ejmech.2016.06.052 BindingDB Entry DOI: 10.7270/Q2JW8GW1
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50393116 (CHEMBL2153423) Show SMILES COc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C20H24N2O3/c1-23-18-5-3-2-4-17(18)22-12-10-21(11-13-22)9-8-16-6-7-19-20(14-16)25-15-24-19/h2-7,14H,8-13,15H2,1H3	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from rat liver adrenergic alpha1B receptor after 45 mins by liquid scintillation counter				Eur J Med Chem 46: 3000-12 (2011) Article DOI: 10.1016/j.ejmech.2011.04.032 BindingDB Entry DOI: 10.7270/Q2M32WVZ
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50393116 (CHEMBL2153423) Show SMILES COc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C20H24N2O3/c1-23-18-5-3-2-4-17(18)22-12-10-21(11-13-22)9-8-16-6-7-19-20(14-16)25-15-24-19/h2-7,14H,8-13,15H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.269	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from rat salivary gland adrenergic alpha 1A receptor after 45 mins by liquid scintillation counter				Eur J Med Chem 46: 3000-12 (2011) Article DOI: 10.1016/j.ejmech.2011.04.032 BindingDB Entry DOI: 10.7270/Q2M32WVZ
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50393116 (CHEMBL2153423) Show SMILES COc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C20H24N2O3/c1-23-18-5-3-2-4-17(18)22-12-10-21(11-13-22)9-8-16-6-7-19-20(14-16)25-15-24-19/h2-7,14H,8-13,15H2,1H3	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.03	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from rat liver adrenergic alpha1B receptor after 45 mins by liquid scintillation counter				Eur J Med Chem 46: 3000-12 (2011) Article DOI: 10.1016/j.ejmech.2011.04.032 BindingDB Entry DOI: 10.7270/Q2M32WVZ
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50393116 (CHEMBL2153423) Show SMILES COc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C20H24N2O3/c1-23-18-5-3-2-4-17(18)22-12-10-21(11-13-22)9-8-16-6-7-19-20(14-16)25-15-24-19/h2-7,14H,8-13,15H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.0251	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Antagonist activity at adrenergic alpha 1D receptor in rat thoracic aorta assessed as inhibition of noradrenaline-induced contraction after 1 hr				Eur J Med Chem 46: 3000-12 (2011) Article DOI: 10.1016/j.ejmech.2011.04.032 BindingDB Entry DOI: 10.7270/Q2M32WVZ
					More data for this Ligand-Target Pair